N1,N4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N1,N4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane-1,4-dicarboxamide Openeye Name: N1,N4-bis(p-tolylsulfonyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N1,N4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis-(4-methylphenyl)sulfonyl-1,4-diazepane-1,4-dicarboxamide Traditional Name: N,N'-ditosyl-1,4-diazepane-1,4-dicarboxamide Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N4O6S2/c1-16-4-8-18(9-5-16)32(28,29)22-20(26)24-12-3-13-25(15-14-24)21(27)23-33(30,31)19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3,(H,22,26)(H,23,27)